5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]pyridazin-3-yl]pyridin-3-ol

C24H26FN7O — CID 155287166

IUPAC5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]pyridazin-3-yl]pyridin-3-ol
SMILESCC(C)[C@H]1CN(c2ccc(-c3ncc(-c4cc(F)c5nn(C)cc5c4)cc3O)nn2)CCN1
InChIInChI=1S/C24H26FN7O/c1-14(2)20-13-32(7-6-26-20)22-5-4-19(28-29-22)24-21(33)10-16(11-27-24)15-8-17-12-31(3)30-23(17)18(25)9-15/h4-5,8-12,14,20,26,33H,6-7,13H2,1-3H3/t20-/m1/s1
InChIKeyNUMHIFSELIBGRR-HXUWFJFHSA-N
MW447.52 g/mol
LogP3.37
Rot. Bonds4

About 5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]pyridazin-3-yl]pyridin-3-ol

5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]pyridazin-3-yl]pyridin-3-ol (PubChem CID 155287166) has the molecular formula C24H26FN7O and a molecular weight of 447.52 g/mol. Its IUPAC name is 5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]pyridazin-3-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]pyridazin-3-yl]pyridin-3-ol
PubChem CID155287166
Molecular FormulaC24H26FN7O
Molecular Weight447.52 g/mol
Exact Mass447.22
IUPAC Name5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]pyridazin-3-yl]pyridin-3-ol
SMILESCC(C)[C@H]1CN(c2ccc(-c3ncc(-c4cc(F)c5nn(C)cc5c4)cc3O)nn2)CCN1
InChIInChI=1S/C24H26FN7O/c1-14(2)20-13-32(7-6-26-20)22-5-4-19(28-29-22)24-21(33)10-16(11-27-24)15-8-17-12-31(3)30-23(17)18(25)9-15/h4-5,8-12,14,20,26,33H,6-7,13H2,1-3H3/t20-/m1/s1
InChIKeyNUMHIFSELIBGRR-HXUWFJFHSA-N
XLogP3.37
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]pyridazin-3-yl]pyridin-3-ol?
The IUPAC name of 5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]pyridazin-3-yl]pyridin-3-ol (CID 155287166) is 5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]pyridazin-3-yl]pyridin-3-ol.
What is the SMILES notation for 5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]pyridazin-3-yl]pyridin-3-ol?
The canonical SMILES for 5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]pyridazin-3-yl]pyridin-3-ol is CC(C)[C@H]1CN(c2ccc(-c3ncc(-c4cc(F)c5nn(C)cc5c4)cc3O)nn2)CCN1.
What is the InChIKey of 5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]pyridazin-3-yl]pyridin-3-ol?
The InChIKey is NUMHIFSELIBGRR-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H26FN7O/c1-14(2)20-13-32(7-6-26-20)22-5-4-19(28-29-22)24-21(33)10-16(11-27-24)15-8-17-12-31(3)30-23(17)18(25)9-15/h4-5,8-12,14,20,26,33H,6-7,13H2,1-3H3/t20-/m1/s1.
What are the key properties of 5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]pyridazin-3-yl]pyridin-3-ol?
5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]pyridazin-3-yl]pyridin-3-ol has a molecular weight of 447.52 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]pyridazin-3-yl]pyridin-3-ol is sourced from PubChem (CID 155287166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).